SCHEMBL8766869

SCHEMBL8766869

Cc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ADORA2A P29274 1/20 0.38
GRM5 P41594 11/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8778436 0.92 CYP1A2 (0.37) CYP1A2ADORA2AGRM5NPC1RAB9A
SCHEMBL8778467 0.90 GRM5 (0.37) CYP1A2GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL8778539 0.90 GRM5 (0.37) CYP1A2GRM5SMN1; SMN2MEN1ALDH1A1
SCHEMBL8778435 0.88 NPC1 (0.41) CYP1A2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8778593 0.87 LCK (0.36) CYP1A2GRM5
SCHEMBL8778453 0.87 GRM5 (0.46) CYP1A2GRM5
SCHEMBL8778503 0.87 GRM5 (0.41) CYP1A2GRM5ALDH1A1KMT2A
SCHEMBL8778475 0.85 GRM5 (0.44) GRM5SMN1; SMN2
SCHEMBL8778578 0.85 NPC1 (0.35) CYP1A2GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL8779827 0.84 PDGFRB (0.45) CYP1A2ADORA2AGRM5NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885ADORA2A 3887/4885GRM5 2204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.